Version2.4 2021-05-21T09:20:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 14-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(ccc1Br)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@H]4CCSC4=O C39661198 RHF 6-31G(d) (6D,7F) Cc1cc(ccc1Br)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@H]4CCSC4=O C01[X(C21H27Br1N3O3S1)] 162 C1 508 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(c(c1)C)Br)N[C@H]1CCSC1=O O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(c(c1)C)Br)N[C@H]1CCSC1=O Cc1cc(ccc1Br)C(=O)N2C[C@H](C(=O)N[C@H]3CCSC3=O)C4(CC[NH2+]CC4)C2 InChIKey=SYTYMTPWMYDHKJ-WBVHZDCISA-O InChI=1S/C21H26BrN3O3S/c1-13-10-14(2-3-16(13)22)19(27)25-11-15(21(12-25)5-7-23-8-6-21)18(26)24-17-4-9-29-20(17)28/h2-3,10,15,17,23H,4-9,11-12H2,1H3,(H,24,26)/p+1/t15-,17+/m1/s1 InChI=1/C21H26BrN3O3S/c1-13-10-14(2-3-16(13)22)19(27)25-11-15(21(12-25)5-7-23-8-6-21)18(26)24-17-4-9-29-20(17)28/h2-3,10,15,17,23H,4-9,11-12H2,1H3,(H,24,26)/p+1/t15-,17+/m1/s1/fC21H27BrN3O3S/h23-24H/q+1 Cc1cc(ccc1Br)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@H]4CCSC4=O C01[X(C21H27Br1N3O3S1)] 162 C01 508 O=C([C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(c(c1)C)Br)N[C@H]1CCSC1=O O=C([C@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][CH][C]([C]([CH]1)C)Br)N[C@H]1CCS[C]1=O C[C]1[CH][C]([CH][CH][C]1Br)C(=O)N2C[C@H](C(=O)N[C@H]3CCSC3=O)C4(CC[NH2]CC4)C2 InChIKey=ODGSGERVLYILIG-WBVHZDCISA-N InChI=1S/C21H27BrN3O3S/c1-13-10-14(2-3-16(13)22)19(27)25-11-15(21(12-25)5-7-23-8-6-21)18(26)24-17-4-9-29-20(17)28/h2-3,10,15,17H,4-9,11-12,23H2,1H3,(H,24,26)/t15-,17+/m1/s1 InChI=1/C21H27BrN3O3S/c1-13-10-14(2-3-16(13)22)19(27)25-11-15(21(12-25)5-7-23-8-6-21)18(26)24-17-4-9-29-20(17)28/h2-3,10,15,17H,4-9,11-12,23H2,1H3,(H,24,26)/t15-,17+/m1/s1/f/h24H 3498.9304346788 -4166.1537914 1-A 21086.2950 124 384 508 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2.6282 2.2422 1.8312 2.1607 1.8233 1.5896 1.7235 2.0629 2.4006 1.8613 1.4343 2.1888 1.2279 2.4219 1.4610 1.7420 1.4473 1.3099 1.3326 1.4190 1.2381 1.2914 1.2181 1.4938 1.3867 1.4576 1.5457 1.5192 2.0538 1.3865 1.5940 2.7213 1.3002 1.3972 1.4118 1.2649 1.1514 1.3215 1.0444 1.0873 1.0926 1.0933 1.1063 1.4437 1.2593 1.0936 1.0990 1.7825 6.6093 5.4561 1.0798 11.8678 11.9936 9.4935 1.0758 1.0850 1.0364 1.0696 1.0695 1.0693 1.0689 1.0610 1.0784 1.0610 1.1027 1.0632 1.1041 1.0977 1.0986 1.1092 1.1099 1.1090 1.1007 1.1030 1.0954 1.0901 1.0920 1.0963 1.0664 1.0871 1.0786 0.0014 0.0020 0.0041 0.0059 0.0115 0.0212 0.0193 0.0243 0.0399 0.0487 0.0475 0.0698 0.0706 0.0202 0.0680 0.0780 0.0855 0.1125 0.0999 0.1350 0.1379 0.1372 0.2010 0.2171 0.2470 0.3134 0.3909 0.2784 0.2415 0.3740 0.2957 0.3892 0.7122 0.5152 0.4733 0.6173 0.6311 0.9887 0.2348 0.5665 0.7980 1.0142 0.6545 0.8338 1.3495 1.5225 1.0642 1.3606 1.6065 1.5777 1.7127 2.0166 1.4539 1.6074 1.6297 1.0808 1.1269 1.5127 1.1414 0.8158 0.8338 1.2223 1.4664 1.5053 0.9183 1.6853 1.5645 1.6983 1.4637 1.2684 1.2877 1.0181 1.4315 1.6840 3.1650 1.6214 1.7607 1.7386 2.0553 1.2603 1.6062 2.2124 2.0009 1.6900 2.0162 1.7251 1.5312 1.6677 2.0365 2.4578 1.9131 1.4909 2.2936 1.2903 2.5685 1.6290 2.0145 1.7325 1.5968 1.6384 1.7521 1.5308 1.6200 1.5303 1.9075 1.8193 1.9726 2.0992 2.1091 2.8705 1.9667 2.2800 3.9224 1.8962 2.0399 2.0841 1.9070 1.7965 2.0639 1.6386 1.7074 1.7305 1.7451 1.7698 2.3350 2.0421 1.7893 1.8214 3.0461 12.0769 10.4220 2.1369 25.6446 26.2450 21.5859 6.5095 6.6223 6.3342 6.5531 6.6429 6.6975 6.7486 6.7066 6.8210 6.7382 7.0039 6.8134 7.0824 7.0450 7.1043 7.2679 7.2850 7.2809 7.2597 7.2926 7.2704 7.3898 7.4357 7.5194 8.1512 8.8794 9.5514 0.0710 0.9388 0.9148 1.6318 7.3122 4.5593 13.2101 13.8740 5.6353 3.8324 9.3132 0.2461 15.4883 0.2521 1.8149 7.0431 1.8375 1.4311 1.1074 0.8985 1.4511 2.0232 8.3115 10.0711 3.9889 3.6262 11.8163 2.9643 14.1774 3.1652 0.1762 1.4703 8.7492 4.2836 2.0167 25.9863 21.4116 9.5714 126.7356 4.8138 5.0021 3.9322 8.2376 11.8544 9.3521 5.7566 9.4909 7.5304 0.8213 12.4328 3.6788 18.0630 3.0127 13.2379 46.5972 6.0734 5.0941 2.2030 18.0001 11.2916 15.6438 3.3139 15.3421 72.4962 6.5421 2.4621 33.7632 1.2084 4.0158 1.4744 7.1294 2.3329 8.9843 8.0528 104.3886 6.4717 11.0396 44.3215 29.1051 4.0331 41.3923 96.3493 6.0067 1.5183 4.9346 1.9612 0.7887 7.5612 8.9067 84.6596 8.6178 6.4357 13.4209 1.8146 120.6510 161.2430 126.6714 6.7486 6.8793 14.8249 21.6321 6.9543 17.5298 44.7474 124.8914 44.6263 78.4711 21.4818 5.7346 53.2714 12.4892 34.5393 226.1062 1.1386 34.9088 5.9579 60.9712 14.4213 5.0504 7.4518 7.4159 1.8647 1.6551 0.4646 16.8846 9.8807 25.0304 14.2083 311.9490 7.1743 70.6383 72.7734 289.5108 723.7600 239.5519 33.8607 22.9612 15.9097 19.3336 16.6428 36.1345 10.1648 11.3526 10.8873 6.6216 11.9617 1.4191 20.3389 9.5158 5.7949 10.7942 4.0708 2.7567 3.5287 6.0145 4.5640 6.5538 2.4642 3.3432 228.8424 123.3984 29.4236 2.3388 3.1545 1.0166 1.0190 0.3949 0.1167 1.0367 1.2959 0.7674 0.9289 0.2377 0.2762 0.9434 0.3397 0.8370 0.6227 1.7202 1.6205 0.5240 1.1370 1.5064 1.1202 0.2416 2.7259 1.0186 0.7215 1.1801 1.2055 0.6939 0.1913 2.3689 2.5439 1.4471 0.2486 1.3231 0.4446 2.0643 4.4914 0.9983 2.6502 2.3419 13.7518 2.4437 6.0455 5.6820 2.5066 10.9699 7.1118 15.3823 1.3281 1.9277 17.3830 2.1713 0.5996 4.0160 2.1431 2.2495 1.1608 0.9450 1.6012 0.8901 2.6397 4.7263 2.5916 3.3077 0.9235 6.6615 1.9967 3.7606 6.8006 1.2708 1.4280 2.2119 6.4933 10.0888 4.7622 3.5963 4.7390 7.1651 0.6966 0.7212 2.6329 1.0710 3.5469 5.6435 0.5985 6.4119 6.1247 9.5280 8.0346 2.4633 6.3950 7.8777 2.5721 10.6271 35.0245 9.3212 2.9173 6.7288 2.2856 7.5535 10.4932 4.2662 3.7302 10.5861 2.8825 4.6772 3.9438 1.4826 5.8977 2.6161 0.6379 8.5429 1.9131 15.2372 2.8206 2.8130 8.8911 1.5010 16.3822 17.2553 16.5040 4.4989 6.7143 5.9340 2.6963 10.5771 10.6539 3.1188 18.3740 144.2230 7.1038 56.6826 19.1505 5.5437 53.1885 34.1441 127.8917 71.9670 78.6182 90.8628 103.8857 97.4917 13.5329 84.2857 70.5948 112.9981 55.3063 98.3779 80.6546 44.2329 78.6538 100.3606 24.2981 38.1852 35.6751 42.1185 44.9915 101.7852 71.3077 84.0859 27.7127 0.7308 0.7490 0.7415 0.6510 0.7446 0.7427 0.7414 0.7116 0.7406 0.6869 0.4403 0.4193 0.5858 0.7449 0.2740 0.2424 0.5392 0.3837 0.7500 0.6369 0.3665 0.1832 0.5441 0.7403 0.7254 0.6675 0.1216 0.4107 0.4485 0.7495 0.4232 0.5129 0.2673 0.7396 0.6298 0.7485 0.7492 0.6863 0.6827 0.2490 0.7244 0.1904 0.1318 0.2459 0.2275 0.3714 0.0413 0.3942 0.1766 0.2028 0.4791 0.0408 0.1139 0.6649 0.3236 0.4870 0.4757 0.6190 0.6184 0.4479 0.7168 0.2453 0.4165 0.5310 0.4607 0.6863 0.6906 0.4479 0.5716 0.2548 0.6433 0.7181 0.7198 0.4138 0.1462 0.3788 0.7388 0.2360 0.2660 0.7046 0.5987 0.6376 0.7396 0.6666 0.6578 0.7187 0.4896 0.5965 0.3844 0.6012 0.7495 0.5880 0.6559 0.4425 0.2718 0.2590 0.3041 0.4375 0.7329 0.7213 0.5693 0.7055 0.7463 0.7301 0.7479 0.4666 0.5424 0.5161 0.7408 0.7374 0.5989 0.3492 0.5338 0.7498 0.3941 0.6840 0.6840 0.4673 0.7413 0.7476 0.7356 0.6740 0.6893 0.6534 0.7273 0.3230 0.7472 0.6090 0.5900 0.4124 0.4853 0.6855 0.1960 0.4581 0.2063 0.2333 0.3922 0.0209 0.1433 0.2175 0.1336 0.2384 0.1255 0.4725 0.0740 0.7315 0.1103 0.7455 0.2421 0.6502 0.5765 0.6209 0.6424 0.5046 0.5464 0.4899 0.5561 0.3045 0.1690 0.1568 0.4476 0.1544 0.8445 0.8565 0.8516 0.7886 0.8536 0.8524 0.8515 0.8315 0.8510 0.8144 0.6114 0.5909 0.7388 0.8538 0.4302 0.3902 0.7006 0.5546 0.8571 0.7782 0.5364 0.3096 0.7047 0.8508 0.8409 0.8006 0.2168 0.5823 0.6193 0.8568 0.5947 0.6780 0.4218 0.8503 0.7729 0.8561 0.8566 0.8140 0.8114 0.3987 0.8402 0.3198 0.2329 0.3947 0.3706 0.5416 0.0794 0.5655 0.3001 0.3373 0.6478 0.0784 0.2045 0.7988 0.4889 0.6550 0.6447 0.7647 0.7642 0.6187 0.8350 0.3940 0.5881 0.6936 0.6308 0.8140 0.8170 0.6187 0.7274 0.4061 0.7830 0.8359 0.8371 0.5854 0.2552 0.5494 0.8498 0.3818 0.4202 0.8267 0.7490 0.7787 0.8503 0.7999 0.7936 0.8364 0.6574 0.7473 0.5554 0.7509 0.8568 0.7405 0.7922 0.6135 0.4274 0.4114 0.4664 0.6087 0.8459 0.8381 0.7255 0.8273 0.8547 0.8440 0.8558 0.6363 0.7033 0.6808 0.8511 0.8488 0.7491 0.5177 0.6961 0.8570 0.5653 0.8124 0.8124 0.6369 0.8514 0.8556 0.8477 0.8052 0.8161 0.7904 0.8421 0.4883 0.8553 0.7570 0.7421 0.5840 0.6535 0.8134 0.3277 0.6284 0.3420 0.3784 0.5634 0.0409 0.2506 0.3573 0.2357 0.3850 0.2231 0.6418 0.1378 0.8449 0.1987 0.8542 0.3899 0.7880 0.7314 0.7661 0.7823 0.6708 0.7067 0.6577 0.7147 0.4669 0.2891 0.2710 0.6184 0.2675 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 6 6 6 6 6 6 6 35 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 1 6 6 16 6 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 31.97207 12.00000 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 7398.7099 35047.9668 39036.0411 0.99990 -0.01316 0.00537 0.01321 0.99987 -0.00962 -0.00525 0.00969 0.99994 1 0.01171 0.00247 0.00222 0.24393 0.05149 0.04623 23.96 36.85 45.79 67.00 85.31 96.87 104.26 120.31 136.77 167.27 187.58 221.48 247.90 253.01 259.39 279.89 306.36 322.26 338.52 355.87 370.82 373.56 434.52 456.52 484.94 503.79 508.44 530.30 586.68 610.86 654.87 669.76 698.88 708.69 712.20 725.15 739.77 761.27 792.34 816.98 848.10 855.21 885.58 962.83 984.69 1005.89 1052.78 1074.56 1082.73 1147.16 1155.57 1167.01 1224.92 1234.00 1246.56 1249.42 1274.34 1342.07 1345.71 1375.01 1382.05 1393.07 1410.17 1478.05 1491.74 1500.41 1516.74 1531.17 1539.92 1575.34 1588.71 1598.36 1601.22 1620.68 1624.67 1633.53 1640.90 1647.67 1677.68 1694.77 1696.97 1719.78 1770.70 1800.69 1810.67 1823.24 1839.66 1843.84 1862.38 1896.62 1900.31 1911.07 1918.76 1921.51 1930.30 1979.26 2015.73 2050.79 2069.58 2078.40 2082.86 2084.25 2099.40 2100.92 2118.17 2146.99 2180.54 2184.40 2208.54 2216.02 2232.40 2241.78 2250.36 2263.67 2264.81 2277.38 2301.56 2341.38 2342.45 2347.82 2348.85 2358.97 2368.17 2370.86 2383.82 2386.97 2397.60 2413.04 2450.29 2533.78 2590.62 2636.84 2755.38 2772.79 2826.45 4610.74 4630.79 4633.92 4639.70 4671.45 4691.15 4709.93 4712.55 4714.17 4723.65 4724.00 4745.12 4747.44 4748.70 4766.52 4798.07 4802.26 4802.77 4813.75 4819.68 4828.95 4880.37 4891.21 4908.93 5182.15 5357.14 5577.95 0.505600 0.530992 0.531936 0.447586 -4165.648192 -4165.622799 -4165.621855 -4165.706205 2.829113D-04 MUNgauss RevisionA2.1 retrievium 21-May-2021 DUDE Cc1cc(ccc1Br)C(=O)N2C[C@@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@H]4CCSC4=O C39661198 RHF 6-31G(d) (6D,10F) C1 480.095650 |X|Y|Z| 56.598059 33.632348 129.431541 62.690194 24 6 7 16 20 3 1 |36.858105| |12.628179|36.858105| |7.568192|13.728096|36.858105| |5.003176|7.843963|13.715033|36.858105| |4.412500|6.782175|7.941731|13.731504|36.858105| |4.984443|7.840668|6.909408|7.954686|13.784468|36.858105| |7.488523|13.676097|8.039950|6.915465|7.967779|13.773515|36.858105| |6.003417|6.661559|4.606189|4.097090|4.621492|6.755579|10.049968|2539.412838| |3.822785|5.052849|7.707507|12.744842|7.540461|5.034865|4.484868|105.524134|36.858105| |3.679415|4.529147|6.702979|8.091026|5.369636|4.056368|3.853948|95.199462|15.834392|73.516695| |3.101187|3.934543|5.220005|7.754034|6.432496|4.407985|3.753714|93.557970|13.834228|15.052492|53.358707| |2.957953|3.719653|4.595602|6.341533|6.073618|4.407412|3.694204|94.287713|7.600662|9.601288|17.670116|36.858105| |2.471487|2.934980|3.508493|4.330597|4.072948|3.251007|2.868437|77.643974|5.320883|7.858460|10.851095|12.320037|36.858105| |2.221413|2.616383|3.042310|3.728737|3.684572|3.001513|2.616122|72.479618|4.424681|6.688307|8.713524|8.811647|17.537563|0.500000| |2.413053|2.811441|3.449819|4.147208|3.654210|2.924703|2.656155|72.026748|5.660488|9.243810|10.991203|7.705364|12.159785|0.245304|36.858105| |2.587437|3.098512|3.915751|5.027449|4.359356|3.316614|2.938402|77.614615|7.844074|12.520966|17.916058|8.015525|8.043144|0.191557|12.384140|36.858105| |2.591292|2.945287|3.664936|4.113873|3.427999|2.819993|2.672922|72.543292|5.490857|9.732243|8.613853|5.940488|7.404370|0.152808|12.295775|7.510037|36.858105| |2.354556|2.592190|3.165199|3.406567|2.860178|2.417311|2.334211|64.857760|4.436980|8.736260|6.397877|4.156207|4.834307|0.113177|7.416215|5.869233|12.536620|36.858105| |1.995719|2.180491|2.572961|2.786972|2.451010|2.105670|2.014676|57.367501|3.476417|6.567546|5.237363|3.577903|4.419213|0.110778|6.494832|4.940429|7.768014|12.668934|53.358707| |1.878569|2.023537|2.360848|2.512340|2.218742|1.932380|1.865895|53.762563|3.070779|5.915142|4.477849|3.035572|3.587339|0.091924|4.892548|4.089477|5.709176|9.149767|25.707637|0.500000| |1.936670|2.105735|2.452429|2.639251|2.350174|2.040349|1.956344|56.189683|3.196810|5.864795|4.847058|3.490137|4.450329|0.111625|6.022408|4.351397|7.294557|9.200380|25.524328|0.325200|0.500000| |1.910270|2.120945|2.494352|2.790424|2.515390|2.136215|1.999741|56.881993|3.522316|6.483313|5.614754|3.794725|4.831080|0.129091|7.399878|5.790147|6.487453|7.698544|17.306142|0.254989|0.255955|36.858105| |2.022150|2.293445|2.707167|3.133009|2.873164|2.395671|2.195049|61.714782|3.976411|6.841202|6.949288|5.008606|7.422745|0.204080|12.359725|7.426356|7.479351|6.490929|10.541952|0.158310|0.201232|12.499020|36.858105| |2.389627|2.756648|3.189752|3.675843|3.461776|2.930171|2.677117|74.561224|4.161175|6.424411|7.132091|7.419093|12.511232|0.246932|7.440089|5.105888|6.641122|4.450300|5.656337|0.094912|0.125151|4.163286|5.757257|36.858105| |2.637389|3.022457|3.478991|3.866977|3.567471|3.081269|2.888094|80.140528|4.182012|6.465642|6.606918|6.622775|7.980869|0.165175|5.841241|4.424572|6.225808|4.244226|5.125734|0.088177|0.113072|3.567746|4.488465|15.912565|73.516695| |2.044461|2.303524|2.597701|2.922768|2.809270|2.449438|2.256791|64.966098|3.264657|5.238566|5.416671|5.068742|7.799700|0.206983|5.836274|4.138353|5.188133|3.928998|5.472544|0.093116|0.126686|4.105368|5.607241|13.967381|15.103236|53.358707| |1.909537|2.097886|2.325500|2.523533|2.408590|2.158635|2.037990|59.967517|2.757469|4.550496|4.322258|3.805857|5.064635|0.132792|4.376663|3.283456|4.375939|3.567553|5.060777|0.088853|0.122008|3.574486|4.367942|7.793372|12.163571|18.055932|36.858105| |2.041223|2.229554|2.459217|2.625486|2.486950|2.249663|2.150655|63.301807|2.815010|4.632285|4.303343|3.812168|4.770233|0.119279|4.103447|3.157110|4.356136|3.505768|4.735276|0.083993|0.112313|3.237721|3.844721|7.605417|14.470292|12.716594|17.586864|0.500000| |1.693095|1.843387|1.999961|2.155967|2.105815|1.925665|1.817768|54.764179|2.304365|3.816360|3.563885|3.089003|3.856339|0.107730|3.356328|2.690016|3.260690|2.804326|4.040625|0.073503|0.094727|2.936875|3.467525|5.150469|8.319748|10.349019|12.482391|0.246255|36.858105| |1.574494|1.683821|1.814096|1.916358|1.853788|1.715076|1.645486|50.195670|2.039850|3.445328|3.070143|2.564690|3.082599|0.084487|2.845267|2.328288|2.887157|2.596747|3.777803|0.070527|0.089424|2.659940|2.965420|3.908053|6.697191|6.887907|7.782226|0.190676|12.439837|36.858105| |1.579315|1.681754|1.838138|1.934373|1.832746|1.677145|1.618047|48.872982|2.108209|3.635973|3.157743|2.552120|3.122135|0.084093|3.084768|2.469938|3.240510|3.037816|4.622922|0.086938|0.114887|3.127206|3.335753|3.834653|6.499864|6.559672|7.011969|0.168180|7.071045|10.407835|388.023441| |1.804240|1.955321|2.182786|2.337505|2.187363|1.958491|1.870995|55.186641|2.609283|4.453213|4.013447|3.308343|4.337216|0.113209|4.286248|3.184837|4.536801|3.995073|6.078482|0.107173|0.158927|4.062969|4.609372|5.715561|9.192092|10.541049|12.390638|0.250197|7.778852|7.307027|77.295347|36.858105| |1.865238|2.025793|2.299961|2.470158|2.267569|2.003568|1.915862|55.847447|2.839401|4.937352|4.373810|3.474041|4.629817|0.117911|5.067941|3.610271|5.628305|5.148541|8.390661|0.141450|0.247797|5.222731|5.680832|5.643457|8.934865|9.205783|7.850166|0.182278|5.352111|5.029724|51.702813|15.910440|73.516695| |17.574676|8.859582|5.892539|4.286263|3.955196|4.569788|6.659352|211.742357|3.373177|5.859233|3.783279|2.627901|2.220382|0.056279|2.180771|2.360660|2.307262|2.131973|2.493894|0.048269|0.049234|1.768407|1.858297|2.130634|4.109736|2.518334|1.731032|0.050953|1.551544|1.448044|10.329866|1.643901|3.020046|0.500000| |17.570678|8.855562|5.890264|4.290754|3.952674|4.557889|6.643237|211.062419|3.366983|5.679273|3.870192|2.809265|2.379209|0.059562|2.284982|2.393386|2.457558|2.219080|2.588766|0.049709|0.051840|1.814569|1.929966|2.355421|4.683215|2.758626|1.913337|0.057337|1.706869|1.592593|11.251088|1.794344|3.262689|0.302918|0.500000| |17.598435|8.888745|7.321257|4.774427|3.970866|4.166031|5.559969|152.443701|3.884050|6.946528|4.226862|2.908067|2.477728|0.061362|2.477927|2.639862|2.732406|2.523088|2.869204|0.055379|0.056604|1.987362|2.075357|2.404588|4.733015|2.802476|1.936270|0.057589|1.703618|1.595782|11.526262|1.854375|3.438551|0.301301|0.301109|0.500000| |7.037690|8.943563|17.745584|8.967901|5.663600|4.973596|5.689083|129.936693|7.238289|13.168810|6.642838|4.189386|3.385085|0.080851|3.485818|3.889546|3.901112|3.468096|3.731297|0.070342|0.072049|2.592293|2.745270|3.120310|6.081495|3.485172|2.324440|0.068452|1.983426|1.820264|13.329626|2.226415|4.224053|0.153133|0.152666|0.226263|0.500000| |3.534020|4.907219|5.638981|8.877805|17.744376|8.960538|5.668219|131.089714|6.901525|8.787884|9.508654|6.773557|4.422725|0.115201|3.855076|4.726123|3.414073|2.836246|3.380972|0.062139|0.066100|2.619415|3.056792|3.592946|6.316413|4.001115|2.467226|0.069562|2.170452|1.887422|13.213401|2.225687|4.094759|0.090230|0.090036|0.090425|0.124308|0.500000| |4.076213|5.614149|4.974531|5.650530|8.915904|17.759820|8.942067|223.663633|4.089342|6.018621|5.183709|3.923444|2.989352|0.078783|2.656220|2.978118|2.518232|2.177790|2.635742|0.049544|0.052378|1.984011|2.229671|2.714098|5.002500|3.153670|2.046801|0.058877|1.856738|1.650959|11.365043|1.847203|3.330324|0.107944|0.107508|0.095923|0.107938|0.215656|0.500000| |3.335961|4.253808|5.256072|6.972199|6.454682|4.840065|4.165693|104.045698|7.238001|9.241222|12.289965|17.675820|8.744657|0.177937|6.128874|5.965310|5.640574|3.952938|4.531541|0.079438|0.091758|3.358217|4.206552|7.349875|13.962847|6.622153|3.834821|0.111931|3.092922|2.594997|18.154304|3.281892|6.023611|0.080265|0.089183|0.090617|0.130824|0.179082|0.116297|0.500000| |2.789181|3.516348|4.124979|5.657098|6.280694|4.626028|3.684051|95.781454|6.055122|7.954353|12.243396|17.607330|8.780562|0.230450|5.786854|6.313424|4.496597|3.411194|4.170686|0.073761|0.083401|3.324128|4.315879|6.009379|9.473764|6.193735|3.457982|0.095053|2.938974|2.425498|16.781437|2.968447|5.415301|0.069983|0.074053|0.074622|0.101664|0.219598|0.119621|0.302017|0.500000| |2.339103|2.783590|3.384707|4.308448|4.025034|3.121415|2.718109|73.380251|5.976032|9.561903|12.467352|6.801787|7.019798|0.198175|8.810126|17.519603|5.492345|4.651587|5.876539|0.102107|0.107271|5.452458|7.123621|4.535360|6.825817|5.303465|3.077945|0.080640|2.600869|2.238111|16.699867|2.966939|5.869473|0.060192|0.060437|0.065470|0.091550|0.127091|0.080023|0.139410|0.171379|0.500000| |2.599212|3.059915|3.906218|4.794399|3.998332|3.112758|2.833701|75.247205|7.649394|14.971992|12.472307|5.783841|5.677940|0.138975|8.588142|17.690636|6.980051|6.447570|7.018824|0.122380|0.119880|5.845105|6.272069|4.147312|6.705316|4.748654|2.908493|0.078449|2.413461|2.143546|16.439386|2.913804|5.952394|0.066329|0.065940|0.074892|0.111870|0.115935|0.077156|0.133550|0.132993|0.301676|0.500000| |3.033345|3.501726|4.562937|5.075798|3.964430|3.210383|3.082119|81.214854|6.992881|12.381686|9.814578|6.415449|6.627825|0.136091|8.748255|7.191465|17.634174|9.008759|7.671522|0.127291|0.146723|4.896609|5.477801|5.955472|11.026295|6.075625|3.838573|0.110616|2.946085|2.628213|20.345790|3.815444|7.894942|0.073627|0.079012|0.089811|0.138479|0.105828|0.077662|0.182264|0.130756|0.142712|0.192323|0.500000| |2.468910|2.758329|3.319843|3.622238|3.113084|2.636665|2.523427|69.889807|4.444876|7.676534|6.850125|5.293139|6.939621|0.145634|8.737490|5.515437|17.658609|9.033988|9.581166|0.147600|0.216556|5.618016|6.544637|7.819565|13.635118|8.446171|5.481974|0.155232|3.815638|3.379289|27.447294|5.797669|13.097168|0.060904|0.066318|0.072080|0.097326|0.085804|0.066099|0.147566|0.115055|0.123043|0.139924|0.305770|0.500000| |2.394782|2.645575|3.268119|3.532778|2.931397|2.458844|2.371374|65.504088|4.756054|10.076225|6.605930|3.988130|4.362312|0.104956|6.588908|6.270687|8.702274|17.630955|12.386144|0.219557|0.180420|7.150637|5.786444|3.812916|6.462662|4.579801|3.024512|0.082506|2.460579|2.278934|18.537122|3.290457|7.185208|0.060776|0.061750|0.071525|0.100359|0.080764|0.061325|0.103593|0.092405|0.137590|0.219636|0.212497|0.174134|0.500000| |2.368609|2.544717|3.065869|3.166030|2.652030|2.292234|2.260987|63.559948|3.924345|7.787837|5.377068|3.600484|4.038595|0.095485|5.437086|4.526341|8.824267|17.632701|12.350617|0.224737|0.220083|5.619204|4.865830|3.970925|7.091867|4.838062|3.393894|0.095257|2.690751|2.560912|21.565534|3.866880|8.719652|0.059385|0.062379|0.071544|0.095319|0.071765|0.057311|0.099152|0.083453|0.103308|0.136484|0.213231|0.221030|0.301185|0.500000| |1.941474|2.160125|2.557928|2.871142|2.569945|2.170322|2.030152|57.492627|3.694310|7.029154|5.764079|3.667680|4.350641|0.116534|6.558835|6.157686|5.763190|7.158337|12.442083|0.220986|0.180791|17.619457|8.710044|3.628209|5.673551|4.717323|3.026540|0.077922|2.544159|2.319204|18.921013|3.326018|7.246279|0.050235|0.050710|0.056229|0.074147|0.074388|0.055836|0.089621|0.090060|0.163716|0.190965|0.130058|0.131961|0.221124|0.146472|0.500000| |1.724677|1.895649|2.187025|2.418707|2.222755|1.920674|1.802833|52.150740|2.947016|5.382551|4.621339|3.219763|4.040526|0.112538|5.432301|4.468625|4.869221|5.612733|12.357254|0.224858|0.220192|17.627395|8.795220|3.641580|5.578037|5.152420|3.407039|0.084307|2.899076|2.667257|22.674766|3.974857|8.917977|0.044650|0.045792|0.049661|0.062793|0.064450|0.050091|0.080206|0.080775|0.123044|0.123986|0.107694|0.126069|0.146091|0.126650|0.301117|0.500000| |1.920275|2.155798|2.498976|2.839850|2.642078|2.248411|2.073941|59.162716|3.445900|5.863301|5.840821|4.549005|6.999220|0.197537|8.799061|5.488417|6.555599|5.599472|9.516333|0.146805|0.213743|9.023913|17.632499|6.386617|8.522162|9.694864|5.481668|0.126009|4.219246|3.527894|28.775318|5.978286|13.330169|0.048952|0.051521|0.054616|0.070205|0.077580|0.058584|0.110424|0.110995|0.147023|0.131137|0.135493|0.184804|0.131956|0.125491|0.174223|0.220814|0.500000| |1.926053|2.195607|2.562601|3.005230|2.837624|2.366456|2.137134|60.449175|3.754742|6.369298|6.666351|4.781670|6.635777|0.211076|8.785574|7.090530|5.476701|4.907417|7.653258|0.127122|0.145669|8.972158|17.561126|4.935910|6.899580|6.681856|3.817952|0.093284|3.203915|2.723006|21.094066|3.877386|7.950391|0.049617|0.050987|0.054381|0.071049|0.085920|0.061956|0.108503|0.121479|0.226035|0.163392|0.123370|0.135080|0.130959|0.107767|0.213298|0.211532|0.303436|0.500000| |1.914384|2.159416|2.431926|2.763750|2.687494|2.335388|2.131799|61.655081|3.123173|5.044318|5.274313|4.779920|7.477593|0.233045|5.846804|4.205683|4.768808|3.775544|5.498225|0.093786|0.125427|4.398639|6.301035|9.352811|10.877692|26.066995|9.109964|0.180593|6.830357|4.654750|32.213854|6.781273|11.111141|0.048586|0.052386|0.053446|0.066418|0.079532|0.061902|0.120789|0.123553|0.114831|0.097788|0.112311|0.148137|0.091654|0.092935|0.101987|0.115346|0.236417|0.160857|0.500000| |1.713358|1.868104|2.003027|2.156856|2.137574|1.976282|1.861762|56.542423|2.258837|3.700145|3.474864|3.064826|3.680658|0.103137|3.097448|2.554119|2.992909|2.551780|3.580955|0.065536|0.081926|2.617672|3.094822|4.893494|8.203185|8.972649|8.786740|0.217481|17.603574|8.769130|37.026158|5.603906|7.555542|0.043604|0.048326|0.047501|0.054629|0.061198|0.053320|0.086564|0.082568|0.068832|0.063462|0.077163|0.095535|0.063094|0.068210|0.064289|0.071084|0.100737|0.080867|0.162231|0.500000| 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